10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile

C121H57N15 — CID 160968416

About 10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile

10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile (PubChem CID 160968416) has the molecular formula C121H57N15 and a molecular weight of 1720.89 g/mol. Its IUPAC name is 10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile.

Molecular Properties

• Compound Name: 10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile
• PubChem CID: 160968416
• Molecular Formula: C121H57N15
• Molecular Weight: 1720.89 g/mol
• Exact Mass: 1719.49
• IUPAC Name: 10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile
• SMILES: N#Cc1cc2c(cc1C#N)c1c3ccccc3c3ccccc3c1c1cc3ccccc3nc21.N#Cc1cc2c(cc1C#N)c1c3ccccc3c3ccccc3c1c1nc3ccccc3nc21.N#Cc1cc2c(cc1C#N)c1c3ccccc3c3ccccc3c1c1nc3nccnc3nc21.N#Cc1cc2c3cc4ccccc4cc3c3c4ccccc4c4ccccc4c3c2cc1C#N
• InChI: InChI=1S/C32H16N2.C31H15N3.C30H14N4.C28H12N6/c33-17-21-15-28-27-13-19-7-1-2-8-20(19)14-29(27)31-25-11-5-3-9-23(25)24-10-4-6-12-26(24)32(31)30(28)16-22(21)18-34;32-16-19-14-25-26(15-20(19)17-33)31-27(13-18-7-1-6-12-28(18)34-31)30-24-11-5-3-9-22(24)21-8-2-4-10-23(21)29(25)30;31-15-17-13-23-24(14-18(17)16-32)29-30(34-26-12-6-5-11-25(26)33-29)28-22-10-4-2-8-20(22)19-7-1-3-9-21(19)27(23)28;29-13-15-11-21-22(12-16(15)14-30)25-26(34-28-27(33-25)31-9-10-32-28)24-20-8-4-2-6-18(20)17-5-1-3-7-19(17)23(21)24/h1-16H;1-15H;1-14H;1-12H
• InChIKey: SXXVAEXOCZSDAG-UHFFFAOYSA-N
• XLogP: 29.16
• TPSA: 280.55 Ų
• H-Bond Acceptors: 15
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1720.89
LogP ≤ 5	29.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile?

The IUPAC name of 10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile (CID 160968416) is 10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile.

What is the SMILES notation for 10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile?

The canonical SMILES for 10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile is N#Cc1cc2c(cc1C#N)c1c3ccccc3c3ccccc3c1c1cc3ccccc3nc21.N#Cc1cc2c(cc1C#N)c1c3ccccc3c3ccccc3c1c1nc3ccccc3nc21.N#Cc1cc2c(cc1C#N)c1c3ccccc3c3ccccc3c1c1nc3nccnc3nc21.N#Cc1cc2c3cc4ccccc4cc3c3c4ccccc4c4ccccc4c3c2cc1C#N.

What is the InChIKey of 10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile?

The InChIKey is SXXVAEXOCZSDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16N2.C31H15N3.C30H14N4.C28H12N6/c33-17-21-15-28-27-13-19-7-1-2-8-20(19)14-29(27)31-25-11-5-3-9-23(25)24-10-4-6-12-26(24)32(31)30(28)16-22(21)18-34;32-16-19-14-25-26(15-20(19)17-33)31-27(13-18-7-1-6-12-28(18)34-31)30-24-11-5-3-9-22(24)21-8-2-4-10-23(21)29(25)30;31-15-17-13-23-24(14-18(17)16-32)29-30(34-26-12-6-5-11-25(26)33-29)28-22-10-4-2-8-20(22)19-7-1-3-9-21(19)27(23)28;29-13-15-11-21-22(12-16(15)14-30)25-26(34-28-27(33-25)31-9-10-32-28)24-20-8-4-2-6-18(20)17-5-1-3-7-19(17)23(21)24/h1-16H;1-15H;1-14H;1-12H.

What are the key properties of 10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile?

10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile has a molecular weight of 1720.89 g/mol, XLogP of 29.16, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 10-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;heptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile;3,5,8,10-tetrazaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4,6,8,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-14,15-dicarbonitrile is sourced from PubChem (CID 160968416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).